N-(4-ethanoylphenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H29N5O2S MolecularWeight: 463.59506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C25H29N5O2S/c1-18(31)20-11-13-21(14-12-20)26-24(32)19(2)33-25-28-27-23(17-29-15-7-4-8-16-29)30(25)22-9-5-3-6-10-22/h3,5-6,9-14,19H,4,7-8,15-17H2,1-2H3,(H,26,32)